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1022091-46-8 | 6-Quinolineacetic acid, 5,7-difluoro-
CAS No: 1022091-46-8 Catalog No: AG0006X8 MDL No:
Product Description
Catalog Number:
AG0006X8
Chemical Name:
6-Quinolineacetic acid, 5,7-difluoro-
CAS Number:
1022091-46-8
Molecular Formula:
C11H7F2NO2
Molecular Weight:
223.1756
IUPAC Name:
2-(5,7-difluoroquinolin-6-yl)acetic acid
InChI:
InChI=1S/C11H7F2NO2/c12-8-5-9-6(2-1-3-14-9)11(13)7(8)4-10(15)16/h1-3,5H,4H2,(H,15,16)
InChI Key:
LBRGDCKCWSNZOE-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(F)cc2c(c1F)cccn2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.179g/mol
Monoisotopic Mass:
223.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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